N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide

C10H16N2O — CID 70485025

IUPACN-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=CC(C)=CC1(C)N
InChIInChI=1S/C10H16N2O/c1-7-4-5-9(12-8(2)13)10(3,11)6-7/h4-6,9H,11H2,1-3H3,(H,12,13)
InChIKeyAYXGTDAKWTXOHL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.72
Rot. Bonds1

About N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide

N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 70485025) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide
PubChem CID70485025
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=CC(C)=CC1(C)N
InChIInChI=1S/C10H16N2O/c1-7-4-5-9(12-8(2)13)10(3,11)6-7/h4-6,9H,11H2,1-3H3,(H,12,13)
InChIKeyAYXGTDAKWTXOHL-UHFFFAOYSA-N
XLogP0.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide (CID 70485025) is N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide is CC(=O)NC1C=CC(C)=CC1(C)N.
What is the InChIKey of N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is AYXGTDAKWTXOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-4-5-9(12-8(2)13)10(3,11)6-7/h4-6,9H,11H2,1-3H3,(H,12,13).
What are the key properties of N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 180.25 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 70485025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).